Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70744
- Core Entity Id
- 133393
- Source Entity Count
- 1
- Preferred Name
- cetrimonium
- Name En
- Pubchem Id
- 2681
- Smiles Canonical
- CCCCCCCCCCCCCCCC[N+](C)(C)C
- Molecular Formula
- C19H42N+
- Molecular Weight
- 284.3300
- Inchikey
- RLGQACBPNDBWTB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H42N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h5-19H2,1-4H3/q+1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.0000
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
cetrimonium
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
cetrimonium
Itcmdb Generated
ITX-INGREDIENT-605F0BD9F513
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
284.330
Molecular Formula
C19H42N+
Fda Maximum Daily Dose (Fdamdd)
0.390
Quantitative Estimate Of Drug Likeness（Qed）
0.249